SCHEMBL1105205

SCHEMBL1105205

CCO[C@@H](COCc1ccccc1)COS(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
LMNA P02545 5/20 0.41
MAPT P10636 2/20 0.40
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40
GAA P10253 2/20 0.40
PKM P14618 1/20 0.40
AR P10275 1/20 0.39
CNR2 P34972 1/20 0.39
BCHE P06276 1/20 0.38
ACHE P22303 1/20 0.38
CA12 O43570 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
ATM Q13315 1/20 0.38
CA9 Q16790 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
P2RX7 Q99572 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL11153237 0.88 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2LMNAMAPTCRHBP
SCHEMBL1396102 0.87 LMNA (0.45) ALDH1A1SMN1; SMN2LMNAMAPTAR
SCHEMBL19067483 0.87 LMNA (0.39) ALDH1A1SMN1; SMN2LMNAMAPTCRHBP
SCHEMBL21618245 0.85 VDR (0.41) ALDH1A1GAACA12CYP3A4CA9
SCHEMBL22633343 0.84 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2LMNAMAPTCRHBP
SCHEMBL29490157 0.84 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2LMNAMAPTCRHBP
SCHEMBL1095789 0.84 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2LMNAMAPTCRHBP
SCHEMBL1095792 0.84 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2LMNAMAPTCRHBP
SCHEMBL1095787 0.84 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2LMNAMAPTCRHBP
SCHEMBL15120914 0.83 LMNA (0.44) ALDH1A1SMN1; SMN2LMNAMAPTGAA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8153787-B2 Azacytosine derivatives useful as antiviral agents K.U. LEUVEN RESEARCH & DEVELOPMENT (BE) 2012-04-10 US disclosed
US-20090005346-A1 Azacytosine Derivatives Useful as Antiviral Agents K.U.LEUVEN RESEARCH & DEVELOPMENT (BE) 2009-01-01 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090005346-A1 Azacytosine Derivatives Useful as Antiviral Agents ITPA, ZC3HAV1, MTAP ALDH1A1 1877/4885SMN1; SMN2 4231/4885LMNA 3440/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.